Pavel Hobza

46PUBLICATIONS
56CO-AUTHORS
CrystallographyChemical thermodynamics and energeticsInorganic materials (incl. nanomaterials)Main group metal chemistryElectrical energy transmission, networks and systems
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Publications (46)

|Apr 13, 2026
Mechanistic insights into facet-dependent CO adsorption and vibrational responses on anatase TiO<sub>2</sub>: periodic quantum-mechanical calculations.

Jaroslav Vacek, Pavel Hobza, Dana Nachtigallová

|Mar 20, 2026
Ambiphilic behavior of hydrogen in trisubstituted silanes induced by substituent controlled polarity inversion.

Vítězslav Hrubý, Debashree Manna, Rabindranath Lo

|Mar 06, 2026
Noncovalent Mg···N Interactions as Tunable Electronic Perturbations in Pyridine-Based Single-Molecule Junctions.

Dipankar Sutradhar, Amrit Sarmah, Takahito Nakajima

|Mar 04, 2026
Sulfonium cation [SF<sub>3</sub>]<sup>+</sup> complexes with noble gases.

Mariusz Michalczyk, Wiktor Zierkiewicz, Pavel Hobza

|Feb 19, 2026
Electronic Transmission Signatures of Hydrogen-Bond Topology in Model Antiparallel β-Sheet Segments.

Amrit Sarmah, Dipankar Sutradhar, Pavel Hobza

|Nov 05, 2025
Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches.

Jaroslav Vacek, Dávid Vrška, Debashree Manna

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Frequent Collaborators

11 joint publications

Rabindranath Lo

7 joint publications

Pavel Hobza

7 joint publications

Maximilián Lamanec

7 joint publications

Jan Řezáč